gefitinib

Ligand id: 4941

Name: gefitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.74
Molecular weight 446.15
XLogP 3.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 2,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
epidermal growth factor receptor EGFR(L747-T751del,Sins) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR(E746-A750del) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR(L747-E749del, A750P) Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(L747-S752del, P753S) Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(L858R) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(S752-I759del) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(G719S) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(L861Q) Hs Inhibitor Inhibition 8.9 pKd
epidermal growth factor receptor EGFR(G719C) Hs Inhibitor Inhibition 8.7 pKd
Displaying the top 10 targets  View all targets in screen »
EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 3.0
erb-b2 receptor tyrosine kinase 4 ErbB4/ERBB4(HER4) Hs Inhibitor Inhibition 24.2
EPH receptor A6 nd/EPHA6 Hs Inhibitor Inhibition 28.9
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 34.0
erb-b2 receptor tyrosine kinase 2 nd/ERBB2(HER2) Hs Inhibitor Inhibition 34.2
serine/threonine kinase 10 LOK/LOK(STK10) Hs Inhibitor Inhibition 38.6
MAP kinase interacting serine/threonine kinase 1 nd/MNK1 Hs Inhibitor Inhibition 41.9
salt inducible kinase 2 nd/SIK2 Hs Inhibitor Inhibition 49.3
MAP kinase interacting serine/threonine kinase 2 Mnk2/MNK2 Hs Inhibitor Inhibition 54.1
fms related tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 56.5
Displaying the top 10 targets  View all targets in screen »